SCHEMBL69366

SCHEMBL69366

CCC(C)(c1cc(C)cc(C(C)(C)C)c1O)c1cc(C)cc(C(C)(C)C)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.72
ALDH1A1 P00352 5/20 0.72
CA2 P00918 4/20 0.72
POLB P06746 1/20 0.72
TYR P14679 1/20 0.72
HSPA5 P11021 2/20 0.58
CYP2C9 P11712 5/20 0.56
CYP2C19 P33261 5/20 0.56
HIF1A Q16665 5/20 0.56
CA1 P00915 2/20 0.50
CYP2D6 P10635 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 3/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 3/20 0.44
MAPT P10636 3/20 0.44
ALOX15 P16050 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Butylated Hydroxytoluene SCHEMBL28926002 0.85 SMN1; SMN2 (0.82) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL994118 0.85 ALDH1A1 (0.82) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL453824 0.85 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL3950 0.85 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3131237 0.84 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL10849163 0.84 CA2 (0.48) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL125095 0.83 SMN1; SMN2 (0.78) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL11859223 0.83 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL11857289 0.83 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL4170581 0.83 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1CA2POLBTYR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 SMN1; SMN2 4357/4885ALDH1A1 1882/4885CA2 612/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.